MMsINC Database Search


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MMsINC code: MMs00638015

Type: Neutral
Formula: C₂₆H₂₄N₂O₃

SMILES:

O(C)c1cc(OC)ccc1-c1nc2c(cccc2)c(c1)C(=O)NC(C)c1ccccc1

InChI:

InChI=1/C26H24N2O3/c1-17(18-9-5-4-6-10-18)27-26(29)22-16-24(28-23-12-8-7-11-20(22)23)21-14-13-19(30-2)15-25(21)31-3/h4-17H,1-3H3,(H,27,29)/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=134.828 kcal/mol

Physical Properties
Molecular Weight: 412.489 g/mol	logS: -6.7106	SlogP: 5.5055	Reactive groups: 0

Topological Properties
Globularity: 0.0450026	Sterimol/B1: 2.02197	Sterimol/B2: 5.41651	Sterimol/B3: 7.24808
Sterimol/B4: 8.16881	Sterimol/L: 16.5007

Surface and Volume Properties
Accessible surface: 709.387	Positive charged surface: 444.893	Negative charged surface: 254.137	Volume: 405.375
Hydrophobic surface: 635.903	Hydrophilic surface: 73.484

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.